N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine

C31H23F34N — CID 10653679

IUPACN-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCN(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C31H23F34N/c32-16(33,18(36,37)20(40,41)22(44,45)24(48,49)26(52,53)28(56,57)30(60,61)62)10-4-6-12-66(14-15-8-2-1-3-9-15)13-7-5-11-17(34,35)19(38,39)21(42,43)23(46,47)25(50,51)27(54,55)29(58,59)31(63,64)65/h1-3,8-9H,4-7,10-14H2
InChIKeyISJZBQVDIIUGBW-UHFFFAOYSA-N
MW1055.46 g/mol
LogP14.85
Rot. Bonds24

About N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine

N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine (PubChem CID 10653679) has the molecular formula C31H23F34N and a molecular weight of 1055.46 g/mol. Its IUPAC name is N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine.

Molecular Properties

Compound NameN-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine
PubChem CID10653679
Molecular FormulaC31H23F34N
Molecular Weight1055.46 g/mol
Exact Mass1055.13
IUPAC NameN-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCN(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C31H23F34N/c32-16(33,18(36,37)20(40,41)22(44,45)24(48,49)26(52,53)28(56,57)30(60,61)62)10-4-6-12-66(14-15-8-2-1-3-9-15)13-7-5-11-17(34,35)19(38,39)21(42,43)23(46,47)25(50,51)27(54,55)29(58,59)31(63,64)65/h1-3,8-9H,4-7,10-14H2
InChIKeyISJZBQVDIIUGBW-UHFFFAOYSA-N
XLogP14.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.46
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine?
The IUPAC name of N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine (CID 10653679) is N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine.
What is the SMILES notation for N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine?
The canonical SMILES for N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCN(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine?
The InChIKey is ISJZBQVDIIUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F34N/c32-16(33,18(36,37)20(40,41)22(44,45)24(48,49)26(52,53)28(56,57)30(60,61)62)10-4-6-12-66(14-15-8-2-1-3-9-15)13-7-5-11-17(34,35)19(38,39)21(42,43)23(46,47)25(50,51)27(54,55)29(58,59)31(63,64)65/h1-3,8-9H,4-7,10-14H2.
What are the key properties of N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine?
N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine has a molecular weight of 1055.46 g/mol, XLogP of 14.85, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)dodecan-1-amine is sourced from PubChem (CID 10653679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).